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CHEMSTAR-ZINC00046325

 MMsINC code: MMs01072449
Type: Neutral
Formula: C15H11Cl2NO2
SMILES:   Clc1cc(Cl)cc(\C=N\c2cc(ccc2)C(=O)C)c1O
InChI:   InChI=1/C15H11Cl2NO2/c1-9(19)10-3-2-4-13(6-10)18-8-11-5-12(16)7-14(17)15(11)20/h2-8,20H,1H3/b18-8+

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Potential Energy
Epot(MMFF94)=65.9978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.164 g/mol  logS: -4.72852  SlogP: 4.6522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285951  Sterimol/B1: 2.85302  Sterimol/B2: 3.6133  Sterimol/B3: 4.13764
  Sterimol/B4: 5.19871  Sterimol/L: 16.1188 
 
 Surface and Volume Properties
  Accessible surface: 524.645  Positive charged surface: 230.2  Negative charged surface: 294.444  Volume: 269.125
  Hydrophobic surface: 439.602  Hydrophilic surface: 85.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.